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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H29N
Molecular Weight 331.4938
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANHYDRO ABIRATERONE

SMILES

[H][C@@]12CC=C(C3=CN=CC=C3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CC=C5C=CCC[C@]45C

InChI

InChIKey=LAZGFPQCCUTDPH-NHFPKVKZSA-N
InChI=1S/C24H29N/c1-23-13-4-3-7-18(23)8-9-19-21-11-10-20(17-6-5-15-25-16-17)24(21,2)14-12-22(19)23/h3,5-8,10,15-16,19,21-22H,4,9,11-14H2,1-2H3/t19-,21-,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H29N
Molecular Weight 331.4938
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:27:30 UTC 2023
Edited
by admin
on Sat Dec 16 10:27:30 UTC 2023
Record UNII
PNX2GEV6HN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANHYDRO ABIRATERONE
Common Name English
ANHYDRO ABIRATERONE [USP IMPURITY]
Common Name English
PYRIDINE, 3-ANDROSTA-3,5,16-TRIEN-17-YL-
Systematic Name English
17-(PYRIDIN-3-YL)ANDROSTA-3,5,16-TRIENE
Systematic Name English
Code System Code Type Description
CAS
154229-20-6
Created by admin on Sat Dec 16 10:27:30 UTC 2023 , Edited by admin on Sat Dec 16 10:27:30 UTC 2023
PRIMARY
EPA CompTox
DTXSID901273491
Created by admin on Sat Dec 16 10:27:30 UTC 2023 , Edited by admin on Sat Dec 16 10:27:30 UTC 2023
PRIMARY
FDA UNII
PNX2GEV6HN
Created by admin on Sat Dec 16 10:27:30 UTC 2023 , Edited by admin on Sat Dec 16 10:27:30 UTC 2023
PRIMARY
PUBCHEM
10314660
Created by admin on Sat Dec 16 10:27:30 UTC 2023 , Edited by admin on Sat Dec 16 10:27:30 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY